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Dyphylline

CAT: 0926-FD22634-04Size: 0.5 KgDry Ice: NoHazardous: No
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CAT#:0926-FD22634-04Size:0.5 Kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
479-18-5
Synonyms
7- (2,3-Dihydroxypropyl) -3,7-dihydro-1,3-dimethyl-purine-2,6-dione; Diprophylline; Dihydroxypropyltheophylline
MDL Number
MFCD00005759
Smiles
CN1C2=C (C (=O) N (C1=O) C) N (C=N2) CC (CO) O
Molecular Formula
C10H14N4O4
Molecular Weight
254.24 g/mol
Controlled
No

Chemical Information

Diprophylline

Dyphylline is an oxopurine that is theophylline bearing a 2,3-dihydroxypropyl group at the 7 position. It has broncho- and vasodilator properties, and is used in the treatment of asthma, cardiac dyspnea, and bronchitis. It is also an ingredient in preparations that have been promoted for coughs. It has a role as a bronchodilator agent, a vasodilator agent, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor and a muscle relaxant. It is an oxopurine and a member of propane-1,2-diols.

CAS Number479-18-5
PubChem CID3182
IUPAC Name7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
Molecular FormulaC10H14N4O4
Molecular Weight254.24
XLogP-1.8
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity364
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
InChI
InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
InChIKey
KSCFJBIXMNOVSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diprophylline
CAS: 479-18-5
CID: 3182
Formula: C10H14N4O4
MW: 254.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.24
XLogP3-1.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass254.10150494
Monoisotopic Mass254.10150494
Topological Polar Surface Area98.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity364
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
272949-01Dyphylline
AR-D07987-01Dyphylline (Diprophylline)
A10339-1000Dyphylline 1g
A10339-500Dyphylline 500mg
A10339-100Dyphylline 100mg
RM-D091895-01Dyphylline Impurity 5
RM-D091897-01Dyphylline Impurity 7
RM-D091898-01Dyphylline Impurity 8
RM-D091899-01Dyphylline Impurity 9
RM-D091893-01Dyphylline Impurity 3

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